[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

C14H19N3O3S — CID 164640630

IUPAC[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1
InChIKeyKYZREMZIBKLHSH-NSHDSACASA-N
MW309.39 g/mol
LogP0.46
Rot. Bonds2

About [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone

[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 164640630) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID164640630
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1
InChIKeyKYZREMZIBKLHSH-NSHDSACASA-N
XLogP0.46
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 97419472
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-4-yl)methanone
CID 97419699
(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone
CID 118739126
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 94993786
[(2R)-2-[(4,4-difluoropiperidin-1-yl)methyl]-1-oxa-7-azaspiro[3.5]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 124231375
[(3S)-8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 129549020
[(3R)-8-(1-fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 129549028
[8-(1-Fluorocyclobutanecarbonyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131680030
[3-[(2S)-2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 132439791
[9-(Cyclopropylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 97385625
[(7R,8aR)-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 125212583
[(7R,8aR)-7-[2-(dimethylamino)ethoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1,3-thiazol-4-yl)methanone
CID 125214015

Frequently Asked Questions

What is the IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone (CID 164640630) is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC2(C[C@H](N3CCOCC3)CO2)C1.
What is the InChIKey of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is KYZREMZIBKLHSH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(12-7-21-10-15-12)17-8-14(9-17)5-11(6-20-14)16-1-3-19-4-2-16/h7,10-11H,1-6,8-9H2/t11-/m0/s1.
What are the key properties of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone?
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 164640630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).